General
Preferred name
DIETHYLTHIAMBUTENE
Synonyms
IDS-ND-006 ()
Nih-4185 ()
191c49 ()
Acscn-9616 ()
Thiambutene ()
P&D ID
PD008800
CAS
86-14-6
Tags
available
drug candidate
Drug Status
experimental
illicit
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
291.11
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
6
Ring Count
2
Aromatic Ring Count
2
cLogP
4.97
TPSA
3.24
Fraction CSP3
0.38
Chiral centers
1.0
Largest ring
5.0
QED
0.73
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
